2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine

C11H15ClFN — CID 116963016

IUPAC2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-7-5-9(12)8(6-10(7)13)11(2,3)14-4/h5-6,14H,1-4H3
InChIKeyRLXWXQIKFYFUQA-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.24
Rot. Bonds2

About 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine

2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine (PubChem CID 116963016) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine
PubChem CID116963016
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-7-5-9(12)8(6-10(7)13)11(2,3)14-4/h5-6,14H,1-4H3
InChIKeyRLXWXQIKFYFUQA-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(1,1-difluoroethyl)-4-fluoro-5-methylbenzene
CID 116841620
1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839484
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide
CID 116844099
2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
CID 116838633
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
1-(4-bromo-2-methylbutan-2-yl)-2-chloro-4-fluoro-5-methylbenzene
CID 81050769
2-chloro-5-fluoro-4-methylbenzenethiol
CID 91874485
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
2-(4-chloro-5-fluoro-2-methylphenyl)-2-methylpropanenitrile
CID 84782008
2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131719
3-(2-chloro-4,5-dimethylphenyl)-N,3-dimethylbutan-1-amine
CID 115485108

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine (CID 116963016) is 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine is CNC(C)(C)c1cc(F)c(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine?
The InChIKey is RLXWXQIKFYFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-7-5-9(12)8(6-10(7)13)11(2,3)14-4/h5-6,14H,1-4H3.
What are the key properties of 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine?
2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 116963016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).